3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

C15H28N2O2 — CID 110898395

IUPAC3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(CCCO)CC1
InChIInChI=1S/C15H28N2O2/c18-13-3-8-16-9-11-17(12-10-16)15(19)7-6-14-4-1-2-5-14/h14,18H,1-13H2
InChIKeyCMKLZCHUSDGYQD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds6

About 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (PubChem CID 110898395) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
PubChem CID110898395
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(CCCO)CC1
InChIInChI=1S/C15H28N2O2/c18-13-3-8-16-9-11-17(12-10-16)15(19)7-6-14-4-1-2-5-14/h14,18H,1-13H2
InChIKeyCMKLZCHUSDGYQD-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (CID 110898395) is 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(CCCO)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The InChIKey is CMKLZCHUSDGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-13-3-8-16-9-11-17(12-10-16)15(19)7-6-14-4-1-2-5-14/h14,18H,1-13H2.
What are the key properties of 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110898395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).